4-(benzenesulfonyl)-5-chloro-N-cyclopropyl-1,3-thiazol-2-amine

C12H11ClN2O2S2 — CID 2476377

IUPAC4-(benzenesulfonyl)-5-chloro-N-cyclopropyl-1,3-thiazol-2-amine
SMILESO=S(=O)(c1ccccc1)c1nc(NC2CC2)sc1Cl
InChIInChI=1S/C12H11ClN2O2S2/c13-10-11(15-12(18-10)14-8-6-7-8)19(16,17)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,15)
InChIKeyRTFLJSHHXPYJJC-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.20
Rot. Bonds4

About 4-(benzenesulfonyl)-5-chloro-N-cyclopropyl-1,3-thiazol-2-amine

4-(benzenesulfonyl)-5-chloro-N-cyclopropyl-1,3-thiazol-2-amine (PubChem CID 2476377) has the molecular formula C12H11ClN2O2S2 and a molecular weight of 314.82 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-5-chloro-N-cyclopropyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-5-chloro-N-cyclopropyl-1,3-thiazol-2-amine
PubChem CID2476377
Molecular FormulaC12H11ClN2O2S2
Molecular Weight314.82 g/mol
Exact Mass314.00
IUPAC Name4-(benzenesulfonyl)-5-chloro-N-cyclopropyl-1,3-thiazol-2-amine
SMILESO=S(=O)(c1ccccc1)c1nc(NC2CC2)sc1Cl
InChIInChI=1S/C12H11ClN2O2S2/c13-10-11(15-12(18-10)14-8-6-7-8)19(16,17)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,15)
InChIKeyRTFLJSHHXPYJJC-UHFFFAOYSA-N
XLogP3.20
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-5-chloro-N-cyclopropyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(benzenesulfonyl)-5-chloro-N-cyclopropyl-1,3-thiazol-2-amine (CID 2476377) is 4-(benzenesulfonyl)-5-chloro-N-cyclopropyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-5-chloro-N-cyclopropyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(benzenesulfonyl)-5-chloro-N-cyclopropyl-1,3-thiazol-2-amine is O=S(=O)(c1ccccc1)c1nc(NC2CC2)sc1Cl.
What is the InChIKey of 4-(benzenesulfonyl)-5-chloro-N-cyclopropyl-1,3-thiazol-2-amine?
The InChIKey is RTFLJSHHXPYJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S2/c13-10-11(15-12(18-10)14-8-6-7-8)19(16,17)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,15).
What are the key properties of 4-(benzenesulfonyl)-5-chloro-N-cyclopropyl-1,3-thiazol-2-amine?
4-(benzenesulfonyl)-5-chloro-N-cyclopropyl-1,3-thiazol-2-amine has a molecular weight of 314.82 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-5-chloro-N-cyclopropyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2476377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).